(S)-[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanamine

C15H11F6N — CID 170898673

IUPAC(S)-[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanamine
SMILESN[C@@H](c1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H11F6N/c16-14(17,18)11-6-4-9(5-7-11)13(22)10-2-1-3-12(8-10)15(19,20)21/h1-8,13H,22H2/t13-/m0/s1
InChIKeyVTGDYTLWITVALY-ZDUSSCGKSA-N
MW319.25 g/mol
LogP4.77
Rot. Bonds2

About (S)-[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanamine

(S)-[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 170898673) has the molecular formula C15H11F6N and a molecular weight of 319.25 g/mol. Its IUPAC name is (S)-[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(S)-[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanamine
PubChem CID170898673
Molecular FormulaC15H11F6N
Molecular Weight319.25 g/mol
Exact Mass319.08
IUPAC Name(S)-[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanamine
SMILESN[C@@H](c1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H11F6N/c16-14(17,18)11-6-4-9(5-7-11)13(22)10-2-1-3-12(8-10)15(19,20)21/h1-8,13H,22H2/t13-/m0/s1
InChIKeyVTGDYTLWITVALY-ZDUSSCGKSA-N
XLogP4.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 107974770
(2,6-dimethyl-4-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 107503114
(3-bromo-4-chlorophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 115566981
(R)-pyridin-3-yl-[3-(trifluoromethyl)phenyl]methanamine
CID 28502674
(4-fluoro-3,5-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 65299620
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
(1S)-1-[3-(trifluoromethyl)phenyl]prop-2-yn-1-amine
CID 97000209
(5-methylthiophen-3-yl)-[3-(trifluoromethyl)phenyl]methanamine
CID 65105009
2-[3-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 20546638
(2-bromophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 43825139
1H-pyrrol-2-yl-[3-(trifluoromethyl)phenyl]methanamine
CID 112742722
(5-methyl-3-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 115374254

Frequently Asked Questions

What is the IUPAC name of (S)-[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (S)-[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanamine (CID 170898673) is (S)-[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (S)-[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (S)-[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanamine is N[C@@H](c1ccc(C(F)(F)F)cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (S)-[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is VTGDYTLWITVALY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H11F6N/c16-14(17,18)11-6-4-9(5-7-11)13(22)10-2-1-3-12(8-10)15(19,20)21/h1-8,13H,22H2/t13-/m0/s1.
What are the key properties of (S)-[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanamine?
(S)-[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 319.25 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 170898673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).